Bicarbonate

Bicarbonate

SCHEMBL16668987

NCN1CCNCC1.O=C(O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
SIGMAR1 Q99720 6/20 0.38
CHKA P35790 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Carbamic Acid SCHEMBL8606637 0.93 CHRM5 (0.40) CHRM5CHRM3CA2CA12CA1
SCHEMBL628218 0.87
Hydrochloric Acid SCHEMBL9306584 0.85 SMN1; SMN2 (0.41) SIGMAR1POLBSMN1; SMN2HSD17B10MEN1
Hydrochloric Acid SCHEMBL8083563 0.82 SMN1; SMN2 (0.44) SIGMAR1POLBSMN1; SMN2HSD17B10MEN1
Bicarbonate SCHEMBL16668577 0.82 ALOX15 (0.50) CHRM5CHRM3SIGMAR1KDM4EALDH1A1
Bicarbonate SCHEMBL16668955 0.79 CXCR4 (0.47) CHRM5CHRM3SIGMAR1KDM4EALDH1A1
SCHEMBL2007452 0.77
Bicarbonate SCHEMBL16668925 0.76 CHRM5 (0.46) CHRM5CHRM3CA2CA12CA1
Carbamic Acid SCHEMBL10977422 0.76 ALOX15 (0.48) CHRM5CHRM3SIGMAR1KDM4EALDH1A1
SCHEMBL1954855 0.74 CXCR4 (0.63) SIGMAR1SMN1; SMN2MEN1KMT2ACXCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956519-B2 Absorbent for desulfurization of combustion gas and method of treating combustion gas using the same HYUNDAI MOTOR COMPANY (KR) 2018-05-01 US claimed
CN-104587798-A ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KIA MOTORS CORP 2015-05-06 CN claimed
US-20150118136-A1 ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-04-30 US claimed
US-9956519-B2 Absorbent for desulfurization of combustion gas and method of treating combustion gas using the same HYUNDAI MOTOR COMPANY (KR) 2018-05-01 US disclosed
CN-104587798-A ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KIA MOTORS CORP 2015-05-06 CN disclosed
US-20150118136-A1 ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-04-30 US disclosed